(2S)-2-(carbamoylamino)-4-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]pentanamide

C16H26N4O4S — CID 9219440

IUPAC(2S)-2-(carbamoylamino)-4-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]pentanamide
SMILESCC(C)C[C@H](NC(N)=O)C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1
InChIInChI=1S/C16H26N4O4S/c1-10(2)9-14(19-16(17)22)15(21)18-12-5-7-13(8-6-12)25(23,24)20-11(3)4/h5-8,10-11,14,20H,9H2,1-4H3,(H,18,21)(H3,17,19,22)/t14-/m0/s1
InChIKeyOSAZBBYYNMNJNJ-AWEZNQCLSA-N
MW370.48 g/mol
LogP1.39
Rot. Bonds8

About (2S)-2-(carbamoylamino)-4-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]pentanamide

(2S)-2-(carbamoylamino)-4-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]pentanamide (PubChem CID 9219440) has the molecular formula C16H26N4O4S and a molecular weight of 370.48 g/mol. Its IUPAC name is (2S)-2-(carbamoylamino)-4-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]pentanamide.

Molecular Properties

Compound Name(2S)-2-(carbamoylamino)-4-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]pentanamide
PubChem CID9219440
Molecular FormulaC16H26N4O4S
Molecular Weight370.48 g/mol
Exact Mass370.17
IUPAC Name(2S)-2-(carbamoylamino)-4-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]pentanamide
SMILESCC(C)C[C@H](NC(N)=O)C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1
InChIInChI=1S/C16H26N4O4S/c1-10(2)9-14(19-16(17)22)15(21)18-12-5-7-13(8-6-12)25(23,24)20-11(3)4/h5-8,10-11,14,20H,9H2,1-4H3,(H,18,21)(H3,17,19,22)/t14-/m0/s1
InChIKeyOSAZBBYYNMNJNJ-AWEZNQCLSA-N
XLogP1.39
TPSA130.39 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 51.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(carbamoylamino)-4-methyl-N-(4-methylphenyl)pentanamide
CID 7910463
(2S,3R)-2-(carbamoylamino)-3-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]pentanamide
CID 2569295
2-(carbamoylamino)-3-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]pentanamide
CID 4780829
4-[[4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]amino]benzamide
CID 43007121
2-amino-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide;hydrochloride
CID 119269225
2-amino-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide
CID 61259711
2-(carbamoylamino)-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-4-methylpentanamide
CID 3525774
(2S)-2-(carbamoylamino)-4-methyl-N-(4-phenoxyphenyl)pentanamide
CID 7824756
(2R)-2-(carbamoylamino)-N-(2,3-dihydro-1H-inden-5-yl)-4-methylpentanamide
CID 2572487
methyl 4-[[(2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]amino]benzoate
CID 7965936
(2R)-2-acetamido-3-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide
CID 9219372
2-(carbamoylamino)-3-phenyl-N-[4-(phenylsulfamoyl)phenyl]propanamide
CID 24638122

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(carbamoylamino)-4-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]pentanamide?
The IUPAC name of (2S)-2-(carbamoylamino)-4-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]pentanamide (CID 9219440) is (2S)-2-(carbamoylamino)-4-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]pentanamide.
What is the SMILES notation for (2S)-2-(carbamoylamino)-4-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]pentanamide?
The canonical SMILES for (2S)-2-(carbamoylamino)-4-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]pentanamide is CC(C)C[C@H](NC(N)=O)C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1.
What is the InChIKey of (2S)-2-(carbamoylamino)-4-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]pentanamide?
The InChIKey is OSAZBBYYNMNJNJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H26N4O4S/c1-10(2)9-14(19-16(17)22)15(21)18-12-5-7-13(8-6-12)25(23,24)20-11(3)4/h5-8,10-11,14,20H,9H2,1-4H3,(H,18,21)(H3,17,19,22)/t14-/m0/s1.
What are the key properties of (2S)-2-(carbamoylamino)-4-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]pentanamide?
(2S)-2-(carbamoylamino)-4-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]pentanamide has a molecular weight of 370.48 g/mol, XLogP of 1.39, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(carbamoylamino)-4-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]pentanamide is sourced from PubChem (CID 9219440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).